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Further examples of the failure of surrogates to properly model the structural and hydrothermal chemistry of transuranium ele...

Publication Type
Journal
Journal Name
Inorganic Chemistry
Publication Date
Page Numbers
4945 to 4951
Volume
47
Issue
11

In situ hydrothermal reduction of Np(VI) to Np(IV) in the presence of methylenediphosphonic acid (C1P2) results
in the crystallization of Np[CH2(PO3)2](H2O)2 (NpC1P2-1). Similar reactions have been explored with U(VI) resulting
in the isolation of the U(IV) diphosphonate U[CH2(PO3)2](H2O) (UC1P2-1), and the two U(VI) diphosphonates
(UO2)2[CH2(PO3)2](H2O)3 · H2O (UC1P2-2) and UO2[CH2(PO3H)2](H2O) (UC1P2-3). Single crystal diffraction studies
of NpC1P2-1 reveal that it consists of eight-coordinate Np(IV) bound by diphosphonate anions and two coordinating
water molecules to create a polar three-dimensional framework structure wherein the water molecules reside in
channels. The structure of UC1P2-1 is similar to that of NpC1P2-1 in that it also adopts a three-dimensional
structure. However, the U(IV) centers are seven-coordinate with only a single bound water molecule. UC1P2-2
and UC1P2-3 both contain U(VI). Nevertheless, their structures are quite distinct with UC1P2-2 being composed
of corrugated layers containing UO6 and UO7 units bridged by C1P2; whereas, UC1P2-3 is found as a polar
three-dimensional network structure containing only pentagonal bipyramidal U(VI). Fluorescence measurements on
UC1P2-2 and UC1P2-3 exhibit emission from the uranyl moieties with classical vibronic fine-structure.